==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 08-FEB-00 1DYU . COMPND 2 MOLECULE: COPPER AMINE OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.M.MURRAY,C.M.WILMOT,C.G.SAYSELL,J.JAEGER,P.F.KNOWLES, . 1438 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50205.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 950 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 501 34.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 19 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 151 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 125 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 4 5 3 0 3 1 2 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 13 8 6 10 9 6 9 8 4 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 4 4 2 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 7 A M 0 0 102 0, 0.0 64,-0.2 0, 0.0 65,-0.0 0.000 360.0 360.0 360.0 176.0 29.8 102.7 7.0 2 8 A V E -A 64 0A 47 62,-1.5 62,-2.2 63,-0.0 2,-0.3 -0.968 360.0 -84.4-152.6 152.7 32.7 101.4 5.0 3 9 A P E > -A 63 0A 32 0, 0.0 4,-2.2 0, 0.0 60,-0.3 -0.503 36.2-149.6 -68.4 124.6 32.8 99.0 2.0 4 10 A M H > S+ 0 0 0 58,-2.4 4,-3.2 -2,-0.3 5,-0.4 0.952 89.9 46.1 -62.1 -55.4 32.7 95.4 3.3 5 11 A D H > S+ 0 0 70 57,-0.4 4,-2.6 1,-0.2 5,-0.2 0.913 117.4 46.4 -56.9 -43.6 34.6 93.5 0.6 6 12 A K H > S+ 0 0 132 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.930 116.1 43.3 -61.8 -52.8 37.3 96.1 0.6 7 13 A T H X S+ 0 0 26 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.961 117.3 46.5 -58.0 -54.2 37.6 96.3 4.4 8 14 A L H X>S+ 0 0 0 -4,-3.2 5,-2.1 -5,-0.2 4,-0.8 0.945 112.1 48.7 -58.6 -50.6 37.4 92.5 4.8 9 15 A K H ><5S+ 0 0 137 -4,-2.6 3,-0.6 -5,-0.4 -1,-0.2 0.861 109.8 52.6 -62.8 -29.9 39.9 91.7 2.1 10 16 A E H 3<5S+ 0 0 152 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.872 106.4 55.1 -70.4 -33.5 42.3 94.2 3.5 11 17 A F H 3<5S- 0 0 53 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.615 120.6-112.6 -71.7 -14.2 41.8 92.4 6.9 12 18 A G T <<5S+ 0 0 35 -4,-0.8 -3,-0.2 -3,-0.6 2,-0.2 0.595 70.6 137.9 90.0 13.8 42.9 89.1 5.2 13 19 A A < - 0 0 8 -5,-2.1 2,-0.5 15,-0.1 -1,-0.3 -0.578 54.5-120.7 -92.1 155.7 39.5 87.4 5.4 14 20 A D E -C 27 0B 82 13,-3.5 13,-2.3 -2,-0.2 2,-0.5 -0.858 25.8-156.7 -95.5 130.9 37.8 85.4 2.8 15 21 A V E +C 26 0B 21 -2,-0.5 2,-0.4 11,-0.2 11,-0.2 -0.934 12.8 178.5-114.2 120.7 34.4 86.7 1.7 16 22 A Q E -C 25 0B 55 9,-2.6 9,-2.6 -2,-0.5 2,-0.4 -0.975 10.5-161.0-121.7 135.3 31.7 84.5 0.0 17 23 A W E -C 24 0B 93 -2,-0.4 2,-0.7 7,-0.2 7,-0.2 -0.922 1.7-164.3-114.3 131.5 28.2 85.6 -1.0 18 24 A D E >> -C 23 0B 28 5,-2.1 5,-1.7 -2,-0.4 4,-1.3 -0.920 1.0-169.0-116.8 104.4 25.4 83.0 -1.6 19 25 A D T 45S+ 0 0 109 -2,-0.7 -1,-0.2 2,-0.2 5,-0.0 0.844 83.6 58.4 -65.1 -34.0 22.7 84.8 -3.6 20 26 A Y T 45S+ 0 0 40 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.910 119.0 28.5 -62.6 -43.8 20.2 81.9 -3.0 21 27 A A T 45S- 0 0 1 2,-0.2 -1,-0.2 722,-0.0 -2,-0.2 0.585 101.4-130.5 -92.8 -7.1 20.4 82.2 0.8 22 28 A Q T <5 + 0 0 91 -4,-1.3 2,-0.4 1,-0.2 -3,-0.2 0.940 63.2 137.7 53.0 52.7 21.2 85.9 0.8 23 29 A L E < -C 18 0B 6 -5,-1.7 -5,-2.1 13,-0.2 2,-0.4 -0.993 50.1-148.5-137.0 134.1 24.1 85.1 3.2 24 30 A F E -CD 17 35B 6 11,-2.4 11,-2.4 -2,-0.4 2,-0.5 -0.819 10.5-160.3 -95.2 138.3 27.7 86.2 3.5 25 31 A T E -CD 16 34B 17 -9,-2.6 -9,-2.6 -2,-0.4 2,-0.4 -0.998 11.0-170.6-121.1 117.7 30.2 83.6 4.9 26 32 A L E -CD 15 33B 0 7,-2.7 7,-3.4 -2,-0.5 2,-0.4 -0.941 4.4-175.6-112.8 129.9 33.3 85.3 6.2 27 33 A I E +CD 14 32B 28 -13,-2.3 -13,-3.5 -2,-0.4 2,-0.2 -0.995 15.0 157.4-133.7 136.9 36.3 83.1 7.1 28 34 A K E > - D 0 31B 48 3,-2.2 3,-2.4 -2,-0.4 2,-0.1 -0.785 66.2 -56.5-158.9 108.9 39.7 84.1 8.7 29 35 A D T 3 S- 0 0 30 1,-0.3 -1,-0.2 371,-0.3 372,-0.0 -0.313 126.7 -5.0 55.6-120.7 41.9 81.6 10.6 30 36 A G T 3 S+ 0 0 2 -2,-0.1 2,-0.5 -3,-0.1 -1,-0.3 0.499 115.6 97.1 -83.7 -0.2 39.7 80.2 13.5 31 37 A A E < +D 28 0B 2 -3,-2.4 -3,-2.2 47,-0.1 2,-0.5 -0.808 44.2 178.5 -96.4 128.8 36.7 82.5 12.7 32 38 A Y E -D 27 0B 32 -2,-0.5 13,-2.4 -5,-0.2 14,-0.4 -0.955 17.5-175.6-127.3 102.5 33.8 81.2 10.6 33 39 A V E -DE 26 44B 0 -7,-3.4 -7,-2.7 -2,-0.5 2,-0.4 -0.852 16.1-168.6-110.1 142.3 31.2 83.9 10.4 34 40 A K E +DE 25 43B 36 9,-2.4 9,-2.5 -2,-0.3 2,-0.3 -0.988 16.5 163.9-124.6 129.9 27.7 84.0 8.8 35 41 A V E -D 24 0B 0 -11,-2.4 -11,-2.4 -2,-0.4 7,-0.1 -0.963 22.5-151.2-150.9 134.2 25.8 87.2 8.3 36 42 A K > - 0 0 55 5,-0.5 3,-2.0 -2,-0.3 19,-0.4 -0.793 37.1 -99.0-102.7 143.2 22.7 88.3 6.3 37 43 A P T 3 S+ 0 0 33 0, 0.0 19,-0.2 0, 0.0 3,-0.1 -0.335 109.4 10.8 -55.5 134.2 22.2 91.8 5.0 38 44 A G T 3 S+ 0 0 53 17,-2.6 2,-0.1 1,-0.2 18,-0.1 0.297 92.0 134.8 77.4 -8.8 19.8 93.6 7.4 39 45 A A < - 0 0 21 -3,-2.0 16,-0.4 1,-0.1 -1,-0.2 -0.441 54.2-142.5 -72.9 144.0 19.8 91.0 10.1 40 46 A Q S S+ 0 0 158 -2,-0.1 11,-2.6 14,-0.1 2,-0.3 0.538 84.8 42.4 -83.5 -3.3 20.2 92.3 13.7 41 47 A T E - F 0 50B 57 9,-0.2 -5,-0.5 -5,-0.1 2,-0.2 -0.934 62.7-165.2-140.3 162.1 22.4 89.3 14.5 42 48 A A E - F 0 49B 0 7,-2.4 7,-2.2 -2,-0.3 2,-0.4 -0.767 23.5-118.7-133.0 176.1 25.3 87.3 13.0 43 49 A I E -EF 34 48B 23 -9,-2.5 -9,-2.4 -2,-0.2 2,-0.5 -0.993 21.2-173.6-125.2 135.0 26.8 83.9 13.8 44 50 A V E > S-EF 33 47B 0 3,-2.5 3,-2.0 -2,-0.4 -11,-0.2 -0.995 78.4 -20.8-130.0 115.7 30.4 83.4 14.9 45 51 A N T 3 S- 0 0 13 -13,-2.4 261,-0.1 -2,-0.5 -12,-0.1 0.852 128.7 -49.2 50.3 48.6 31.6 79.8 15.2 46 52 A G T 3 S+ 0 0 38 -14,-0.4 -1,-0.3 259,-0.3 260,-0.1 0.433 117.9 110.0 74.5 1.9 28.0 78.5 15.6 47 53 A Q E < -F 44 0B 111 -3,-2.0 -3,-2.5 30,-0.1 -1,-0.2 -0.894 70.0-115.2-113.3 137.4 27.1 81.2 18.3 48 54 A P E -F 43 0B 87 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.284 27.9-169.1 -67.1 139.5 24.8 84.2 18.0 49 55 A L E -F 42 0B 29 -7,-2.2 -7,-2.4 -2,-0.0 2,-0.3 -0.994 18.6-132.9-134.4 129.2 26.2 87.7 18.2 50 56 A A E -F 41 0B 87 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.587 23.6-145.8 -78.3 134.3 24.1 90.9 18.4 51 57 A L - 0 0 25 -11,-2.6 17,-0.0 -2,-0.3 -1,-0.0 -0.851 13.8-150.8-104.6 143.7 25.2 93.6 16.0 52 58 A Q S S+ 0 0 152 -2,-0.4 -1,-0.1 1,-0.3 -11,-0.0 0.845 94.3 24.2 -76.2 -33.5 25.1 97.4 16.8 53 59 A V S S- 0 0 51 -3,-0.1 12,-0.4 12,-0.0 -1,-0.3 -0.928 84.8-131.8-136.5 112.1 24.7 98.1 13.0 54 60 A P - 0 0 41 0, 0.0 2,-0.2 0, 0.0 -14,-0.1 -0.122 37.5 -95.4 -57.8 156.5 23.3 95.5 10.5 55 61 A V - 0 0 0 -19,-0.4 -17,-2.6 -16,-0.4 2,-0.4 -0.589 46.7-147.1 -71.3 140.7 25.2 95.0 7.3 56 62 A V E -B 63 0A 41 7,-2.7 7,-2.5 -19,-0.2 2,-0.6 -0.950 6.7-144.2-122.8 136.3 23.6 97.2 4.6 57 63 A M E +B 62 0A 74 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.798 23.9 171.7 -98.1 117.6 23.3 96.6 0.9 58 64 A K E > S-B 61 0A 121 3,-2.5 3,-1.2 -2,-0.6 -2,-0.0 -0.965 72.4 -16.3-132.1 120.1 23.7 99.6 -1.3 59 65 A D T 3 S- 0 0 129 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.876 125.8 -59.2 52.7 38.3 23.9 99.4 -5.1 60 66 A N T 3 S+ 0 0 151 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.766 118.2 106.9 65.1 28.8 24.6 95.7 -4.6 61 67 A K E < - B 0 58A 117 -3,-1.2 -3,-2.5 -5,-0.0 -1,-0.2 -1.000 68.3-128.5-131.0 131.7 27.7 96.3 -2.5 62 68 A A E - B 0 57A 7 -2,-0.4 -58,-2.4 -5,-0.2 -57,-0.4 -0.515 20.6-163.7 -85.4 153.8 27.6 95.6 1.2 63 69 A W E -AB 3 56A 76 -7,-2.5 -7,-2.7 -60,-0.3 2,-0.3 -0.973 4.7-170.7-131.2 145.6 28.6 98.2 3.8 64 70 A V E -A 2 0A 0 -62,-2.2 -62,-1.5 -2,-0.4 -9,-0.1 -0.904 33.9 -85.8-134.7 161.7 29.4 97.6 7.5 65 71 A S > - 0 0 8 -12,-0.4 3,-1.5 -2,-0.3 4,-0.3 -0.189 40.5-110.4 -64.6 159.2 30.1 99.9 10.4 66 72 A D T 3 S+ 0 0 150 1,-0.3 4,-0.2 2,-0.1 -1,-0.1 0.697 120.6 51.5 -64.6 -17.2 33.6 101.1 11.0 67 73 A T T 3> S+ 0 0 40 1,-0.1 4,-2.9 2,-0.1 5,-0.3 0.440 79.5 104.0 -98.8 -2.3 33.6 98.9 14.1 68 74 A F H <> S+ 0 0 6 -3,-1.5 4,-2.9 2,-0.2 5,-0.3 0.912 76.8 49.3 -45.1 -63.5 32.5 95.6 12.3 69 75 A I H >>S+ 0 0 30 -4,-0.3 4,-2.3 1,-0.2 5,-0.8 0.920 116.4 43.3 -46.0 -56.5 35.8 93.8 12.1 70 76 A N H >5S+ 0 0 85 -4,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.903 115.3 46.9 -60.5 -47.5 36.6 94.4 15.8 71 77 A D H <5S+ 0 0 44 -4,-2.9 -1,-0.2 2,-0.1 -2,-0.2 0.818 124.2 32.7 -66.8 -29.8 33.1 93.7 17.1 72 78 A V H ><5S+ 0 0 0 -4,-2.9 3,-1.0 -5,-0.3 5,-0.2 0.952 127.3 31.6 -92.1 -56.1 32.8 90.4 15.0 73 79 A F H 3<5S+ 0 0 16 -4,-2.3 3,-0.3 -5,-0.3 -3,-0.2 0.753 128.1 41.4 -72.6 -28.1 36.3 88.9 14.7 74 80 A Q T 3< - 0 0 1 1,-0.1 3,-1.7 -2,-0.1 42,-0.1 -0.367 23.2-124.3 -65.5 141.4 55.7 80.3 29.5 89 95 A P T 3 S+ 0 0 15 0, 0.0 -1,-0.1 0, 0.0 41,-0.1 0.558 109.0 56.3 -64.9 -10.1 59.5 80.6 30.2 90 96 A L T 3 S+ 0 0 9 34,-0.1 32,-0.1 40,-0.1 3,-0.1 0.329 74.6 132.3-104.0 7.5 60.5 79.4 26.7 91 97 A N < - 0 0 16 -3,-1.7 3,-0.1 1,-0.1 236,-0.1 -0.340 66.0-107.6 -54.6 135.8 58.4 82.3 25.0 92 98 A A - 0 0 27 1,-0.1 -1,-0.1 30,-0.0 237,-0.1 -0.179 43.4 -78.9 -65.3 162.5 60.7 83.8 22.4 93 99 A L - 0 0 9 27,-0.1 -1,-0.1 -3,-0.1 2,-0.1 -0.419 51.0-131.9 -61.0 137.5 62.2 87.3 22.9 94 100 A T > - 0 0 73 -3,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.344 27.6 -99.2 -83.5 171.0 59.6 90.0 22.2 95 101 A A H > S+ 0 0 37 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.881 126.5 51.9 -57.9 -37.6 60.4 93.0 19.9 96 102 A D H > S+ 0 0 112 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.896 108.9 48.0 -69.7 -37.5 60.9 95.0 23.1 97 103 A E H > S+ 0 0 27 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.850 110.4 53.7 -70.3 -31.6 63.3 92.5 24.6 98 104 A I H X S+ 0 0 2 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.902 111.0 44.8 -68.0 -40.9 65.2 92.4 21.3 99 105 A K H X S+ 0 0 99 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.879 114.6 49.4 -70.5 -36.0 65.6 96.2 21.3 100 106 A Q H X S+ 0 0 49 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.911 109.0 50.6 -67.2 -46.3 66.6 96.2 24.9 101 107 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 5,-0.2 0.925 110.9 51.1 -58.8 -39.9 69.2 93.5 24.5 102 108 A V H X S+ 0 0 10 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.881 109.5 49.1 -65.8 -38.7 70.6 95.5 21.6 103 109 A E H X S+ 0 0 134 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.867 107.0 57.1 -70.1 -38.8 70.8 98.7 23.7 104 110 A I H < S+ 0 0 12 -4,-2.6 4,-0.4 1,-0.2 3,-0.4 0.934 112.4 38.7 -60.0 -46.4 72.6 96.8 26.5 105 111 A V H >< S+ 0 0 0 -4,-1.9 3,-0.8 1,-0.2 6,-0.3 0.844 113.2 56.1 -74.6 -28.6 75.5 95.6 24.3 106 112 A K H 3< S+ 0 0 113 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.686 100.0 61.5 -74.3 -18.3 75.6 98.9 22.5 107 113 A A T 3< S+ 0 0 86 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.628 87.1 95.3 -79.1 -12.5 76.1 100.7 25.9 108 114 A S S X S- 0 0 25 -3,-0.8 3,-1.2 -4,-0.4 -3,-0.0 -0.530 79.0-131.6 -78.1 143.4 79.3 98.7 26.4 109 115 A A T 3 S+ 0 0 99 1,-0.2 -1,-0.1 -2,-0.2 -3,-0.1 0.576 104.4 63.4 -72.5 -7.4 82.7 100.3 25.5 110 116 A D T 3 S+ 0 0 91 -5,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.652 75.3 106.1 -89.4 -12.0 83.7 97.2 23.6 111 117 A F < - 0 0 32 -3,-1.2 -5,-0.0 -6,-0.3 41,-0.0 -0.508 63.8-145.6 -67.5 124.0 80.9 97.5 21.0 112 118 A K > - 0 0 111 -2,-0.3 3,-2.0 1,-0.1 -2,-0.1 -0.717 21.1-103.3 -99.0 144.5 82.3 98.6 17.7 113 119 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.694 110.3 31.5 -30.9 -53.6 80.6 100.9 15.2 114 120 A N T 3 S+ 0 0 149 2,-0.0 39,-0.3 0, 0.0 37,-0.1 0.126 80.5 152.3-108.8 35.3 79.4 98.6 12.4 115 121 A T < - 0 0 17 -3,-2.0 2,-0.3 37,-0.1 37,-0.2 -0.296 27.1-157.2 -61.2 138.9 78.7 95.5 14.4 116 122 A R E -R 151 0D 29 35,-2.7 35,-2.9 296,-0.0 2,-0.6 -0.723 13.6-125.7-112.0 162.9 76.0 93.1 13.1 117 123 A F E -R 150 0D 6 293,-2.7 295,-0.3 -2,-0.3 33,-0.3 -0.916 18.9-177.2-115.6 108.2 74.0 90.5 15.0 118 124 A T E S+ 0 0 15 31,-1.0 2,-0.3 -2,-0.6 32,-0.2 0.793 78.6 1.7 -72.5 -28.0 74.1 86.9 13.7 119 125 A E E -R 149 0D 30 30,-1.7 30,-2.7 291,-0.1 2,-0.4 -0.904 49.8-176.8-164.7 133.9 71.6 85.9 16.4 120 126 A I E +R 148 0D 11 -2,-0.3 288,-0.4 28,-0.2 2,-0.3 -0.942 36.0 147.2-130.9 104.0 69.6 87.4 19.2 121 127 A S E -R 147 0D 17 26,-1.9 26,-3.1 -2,-0.4 208,-0.1 -0.945 50.0 -78.6-139.4 163.1 67.7 84.7 21.1 122 128 A L E -R 146 0D 30 -2,-0.3 24,-0.3 24,-0.2 -30,-0.0 -0.283 25.1-149.0 -62.3 140.2 66.5 83.7 24.5 123 129 A L E -R 145 0D 52 22,-3.3 22,-0.7 38,-0.2 -1,-0.1 -0.956 36.0-147.4-109.5 101.1 68.9 82.1 27.0 124 130 A P - 0 0 49 0, 0.0 3,-0.1 0, 0.0 -34,-0.1 -0.357 11.1-102.4 -75.0 154.9 66.3 79.9 28.7 125 131 A P - 0 0 19 0, 0.0 2,-0.1 0, 0.0 15,-0.0 -0.013 61.6 -69.2 -66.6 173.3 66.1 78.8 32.3 126 132 A D > - 0 0 93 1,-0.1 4,-2.2 4,-0.0 3,-0.5 -0.347 44.1-110.7 -72.4 153.0 67.2 75.3 33.0 127 133 A K H > S+ 0 0 15 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.819 113.9 55.4 -48.6 -42.4 65.2 72.3 31.8 128 134 A E H > S+ 0 0 162 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.927 109.5 45.8 -64.0 -45.0 64.1 71.3 35.3 129 135 A A H > S+ 0 0 14 -3,-0.5 4,-1.4 1,-0.2 -2,-0.2 0.891 112.7 51.7 -67.0 -37.3 62.6 74.7 36.1 130 136 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 3,-0.2 0.914 109.3 48.9 -67.6 -41.9 60.9 74.8 32.7 131 137 A W H X S+ 0 0 8 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.830 109.0 54.1 -65.4 -34.0 59.3 71.4 33.1 132 138 A A H X S+ 0 0 11 -4,-1.7 4,-2.0 2,-0.2 6,-2.0 0.790 105.7 52.8 -69.9 -28.9 58.0 72.3 36.6 133 139 A F H X S+ 0 0 16 -4,-1.4 4,-1.6 4,-0.3 -2,-0.2 0.968 114.4 42.7 -70.2 -48.4 56.3 75.4 35.1 134 140 A A H < S+ 0 0 21 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.872 126.7 29.5 -65.4 -36.9 54.5 73.2 32.5 135 141 A L H < S+ 0 0 61 -4,-2.6 -3,-0.2 -5,-0.1 -1,-0.2 0.793 137.1 20.3 -94.6 -27.7 53.5 70.4 34.8 136 142 A E H < S- 0 0 140 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.2 0.350 93.2-120.2-121.1 0.3 53.1 72.1 38.2 137 143 A N < + 0 0 99 -4,-1.6 -4,-0.3 -5,-0.4 -3,-0.1 0.643 54.7 162.6 67.4 16.5 52.7 75.8 37.4 138 144 A K - 0 0 116 -6,-2.0 -1,-0.2 1,-0.1 -2,-0.1 -0.528 41.4-119.1 -72.6 125.0 55.8 76.5 39.4 139 145 A P - 0 0 95 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.282 17.4-129.9 -61.5 137.9 57.1 80.0 38.5 140 146 A V - 0 0 31 1,-0.1 2,-0.2 2,-0.1 -10,-0.0 -0.693 19.9-153.0 -81.8 146.5 60.6 80.0 37.1 141 147 A D + 0 0 162 -2,-0.3 -1,-0.1 2,-0.1 -3,-0.0 -0.275 53.3 104.7-121.7 63.0 62.4 82.6 39.2 142 148 A Q S S- 0 0 76 -2,-0.2 -2,-0.1 3,-0.0 2,-0.1 -0.941 73.3-106.0-130.1 147.9 65.1 83.8 36.9 143 149 A P - 0 0 33 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.387 47.9 -92.4 -72.1 155.2 65.3 87.1 35.0 144 150 A R - 0 0 66 18,-0.1 19,-2.3 -2,-0.1 20,-0.8 -0.530 53.4-168.2 -66.8 131.4 64.7 86.9 31.2 145 151 A K E -RS 123 162D 33 -22,-0.7 -22,-3.3 17,-0.2 2,-0.4 -0.931 11.9-156.8-126.0 147.8 68.1 86.5 29.5 146 152 A A E -RS 122 161D 0 15,-2.2 15,-2.7 -2,-0.3 2,-0.4 -0.970 14.1-142.3-128.0 146.2 69.3 86.7 26.0 147 153 A D E -RS 121 160D 51 -26,-3.1 -26,-1.9 -2,-0.4 2,-0.4 -0.826 24.2-168.1 -94.9 138.6 72.3 85.3 24.1 148 154 A V E -RS 120 159D 0 11,-3.1 11,-2.9 -2,-0.4 2,-0.6 -0.936 3.3-168.1-136.6 107.1 73.5 88.0 21.6 149 155 A I E -RS 119 158D 11 -30,-2.7 -30,-1.7 -2,-0.4 -31,-1.0 -0.883 11.5-168.5-101.5 124.1 76.0 86.8 19.1 150 156 A M E -RS 117 157D 2 7,-2.8 7,-1.9 -2,-0.6 2,-0.5 -0.770 21.1-148.3-114.9 157.1 77.7 89.6 17.1 151 157 A L E -RS 116 156D 0 -35,-2.9 -35,-2.7 -2,-0.3 2,-1.0 -0.959 11.6-169.6-125.3 105.9 79.8 89.8 14.1 152 158 A D E > S- S 0 155D 53 3,-3.4 3,-2.0 -2,-0.5 2,-1.3 -0.837 75.1 -50.9 -97.8 91.2 82.3 92.8 14.3 153 159 A G T 3 S- 0 0 24 -2,-1.0 -2,-0.0 -39,-0.3 -37,-0.0 -0.666 125.3 -25.2 79.4-100.0 83.6 92.8 10.8 154 160 A K T 3 S+ 0 0 36 -2,-1.3 2,-0.5 24,-0.0 25,-0.4 0.278 117.8 107.6-126.0 0.9 84.5 89.1 10.6 155 161 A H E < -S 152 0D 100 -3,-2.0 -3,-3.4 23,-0.1 2,-0.4 -0.746 59.3-144.9 -91.3 126.0 84.9 88.6 14.3 156 162 A I E +ST 151 174D 3 21,-0.5 18,-3.0 18,-0.5 2,-0.4 -0.735 18.8 178.7 -91.1 136.9 82.4 86.7 16.4 157 163 A I E -ST 150 173D 13 -7,-1.9 -7,-2.8 -2,-0.4 2,-0.5 -0.993 15.2-150.8-135.7 136.0 81.7 87.8 19.9 158 164 A E E +ST 149 172D 47 14,-2.3 14,-2.5 -2,-0.4 2,-0.3 -0.928 18.7 178.7-112.6 122.3 79.1 86.1 22.2 159 165 A A E -ST 148 171D 0 -11,-2.9 -11,-3.1 -2,-0.5 2,-0.4 -0.853 16.7-152.9-120.9 159.9 77.4 88.2 24.9 160 166 A V E -ST 147 170D 24 10,-1.8 9,-3.4 -2,-0.3 10,-1.3 -0.999 14.8-166.5-130.0 127.0 74.8 87.4 27.4 161 167 A V E -ST 146 168D 0 -15,-2.7 -15,-2.2 -2,-0.4 2,-0.7 -0.906 20.7-139.2-119.9 150.0 72.4 90.1 28.8 162 168 A D E >> -ST 145 167D 7 5,-3.3 5,-1.5 -2,-0.4 4,-0.5 -0.886 17.7-167.7 -99.7 107.4 70.1 90.2 31.7 163 169 A L T 45S+ 0 0 6 -19,-2.3 -1,-0.2 -2,-0.7 -18,-0.1 0.853 82.8 51.7 -68.7 -35.4 66.9 91.9 30.4 164 170 A Q T 45S+ 0 0 135 -20,-0.8 -1,-0.2 1,-0.2 -19,-0.1 0.975 120.7 31.3 -65.1 -54.9 65.3 92.5 33.8 165 171 A N T 45S- 0 0 84 2,-0.1 -1,-0.2 1,-0.0 -2,-0.2 0.467 103.6-133.2 -83.0 -3.5 68.3 94.2 35.4 166 172 A N T <5 + 0 0 91 -4,-0.5 2,-0.3 1,-0.2 -3,-0.2 0.903 58.9 132.8 52.2 43.7 69.3 95.6 32.1 167 173 A K E < -T 162 0D 105 -5,-1.5 -5,-3.3 -62,-0.0 2,-0.4 -0.941 62.0-116.4-130.0 152.5 72.9 94.5 32.5 168 174 A L E -T 161 0D 57 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.648 25.6-175.2 -80.0 129.4 75.6 92.8 30.4 169 175 A L E - 0 0 80 -9,-3.4 2,-0.3 -2,-0.4 -8,-0.2 0.726 63.6 -2.0-101.8 -25.2 76.5 89.5 32.1 170 176 A S E -T 160 0D 47 -10,-1.3 -10,-1.8 2,-0.0 2,-0.4 -0.974 46.8-163.4-166.5 152.1 79.4 88.5 29.7 171 177 A W E +T 159 0D 50 -2,-0.3 -12,-0.2 -12,-0.2 -3,-0.0 -0.945 19.7 175.4-140.6 110.1 81.3 89.4 26.6 172 178 A Q E -T 158 0D 115 -14,-2.5 -14,-2.3 -2,-0.4 -2,-0.0 -0.865 23.9-146.0-132.5 109.5 83.4 86.8 24.9 173 179 A P E -T 157 0D 81 0, 0.0 2,-0.7 0, 0.0 -16,-0.3 -0.385 23.5-138.0 -60.4 139.7 85.3 87.0 21.6 174 180 A I E > -T 156 0D 45 -18,-3.0 3,-0.9 3,-0.1 -18,-0.5 -0.919 17.2-136.2-110.6 106.9 85.2 83.6 19.9 175 181 A K T 3 S- 0 0 176 -2,-0.7 3,-0.1 1,-0.2 -20,-0.0 -0.338 76.6 -2.7 -64.0 135.7 88.6 82.7 18.4 176 182 A D T 3 S+ 0 0 133 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.293 92.4 132.2 70.2 -8.5 88.8 81.2 15.0 177 183 A A < - 0 0 21 -3,-0.9 -21,-0.5 -21,-0.1 2,-0.4 -0.590 46.2-147.3 -79.4 139.0 85.0 81.1 14.4 178 184 A H - 0 0 19 472,-0.5 472,-0.4 470,-0.3 2,-0.1 -0.829 21.1-119.7 -99.7 140.6 83.7 82.5 11.1 179 185 A G - 0 0 0 -25,-0.4 3,-0.1 -2,-0.4 469,-0.1 -0.389 27.6-103.2 -80.9 160.3 80.3 84.1 11.1 180 186 A M - 0 0 31 1,-0.1 2,-0.4 -2,-0.1 201,-0.2 -0.153 50.9 -80.9 -68.1 172.1 77.3 82.9 9.1 181 187 A V - 0 0 2 199,-2.7 2,-0.3 37,-0.1 -1,-0.1 -0.694 49.0-157.2 -82.8 124.4 76.3 84.8 5.9 182 188 A L >> - 0 0 10 -2,-0.4 3,-1.5 -3,-0.1 4,-0.7 -0.699 28.6-106.0-104.7 155.0 74.2 87.9 6.7 183 189 A L H >> S+ 0 0 59 -2,-0.3 3,-1.4 1,-0.3 4,-0.8 0.864 117.1 57.5 -51.4 -43.7 71.8 89.6 4.3 184 190 A D H 3> S+ 0 0 45 1,-0.3 4,-2.5 2,-0.2 3,-0.3 0.777 95.4 68.5 -61.6 -22.1 74.0 92.6 3.6 185 191 A D H <> S+ 0 0 5 -3,-1.5 4,-2.3 1,-0.2 -1,-0.3 0.871 93.1 58.1 -62.7 -32.7 76.7 90.1 2.4 186 192 A F H < S+ 0 0 5 -4,-2.1 3,-1.7 -5,-0.3 7,-0.2 0.932 110.9 55.6 -75.8 -42.0 81.3 92.1 -8.8 194 200 A N H 3< S+ 0 0 85 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.804 110.5 44.3 -56.6 -35.0 79.5 95.0 -10.4 195 201 A N T 3< S+ 0 0 105 -4,-1.9 2,-0.7 -5,-0.1 -1,-0.3 0.369 89.6 106.9 -92.1 4.9 82.5 97.4 -9.8 196 202 A S <> - 0 0 8 -3,-1.7 4,-2.1 1,-0.2 5,-0.2 -0.781 47.8-169.3 -97.0 117.3 85.2 94.9 -10.9 197 203 A E H > S+ 0 0 127 -2,-0.7 4,-1.7 2,-0.2 5,-0.2 0.867 89.2 54.8 -65.9 -39.0 86.8 95.6 -14.2 198 204 A E H > S+ 0 0 98 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.974 109.2 46.2 -62.9 -45.3 88.5 92.1 -14.2 199 205 A F H > S+ 0 0 4 1,-0.2 4,-3.6 2,-0.2 -2,-0.2 0.954 109.6 53.4 -63.0 -43.7 85.2 90.3 -13.8 200 206 A A H X S+ 0 0 43 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.879 110.9 48.7 -59.6 -33.3 83.5 92.3 -16.4 201 207 A A H X S+ 0 0 61 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.899 110.5 49.3 -73.7 -39.5 86.3 91.3 -18.7 202 208 A A H X S+ 0 0 6 -4,-2.9 4,-1.4 -5,-0.2 -2,-0.2 0.951 112.4 50.0 -63.8 -40.6 86.0 87.7 -17.7 203 209 A V H <>S+ 0 0 0 -4,-3.6 5,-1.5 -5,-0.2 3,-0.3 0.931 106.2 53.5 -62.6 -44.1 82.3 88.0 -18.4 204 210 A K H ><5S+ 0 0 102 -4,-2.3 3,-1.9 1,-0.3 -1,-0.2 0.881 103.5 57.6 -57.7 -40.3 82.7 89.6 -21.9 205 211 A K H 3<5S+ 0 0 116 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.908 101.1 58.9 -57.3 -39.9 84.9 86.7 -22.9 206 212 A R T 3<5S- 0 0 7 -4,-1.4 74,-0.4 -3,-0.3 -1,-0.3 0.254 126.9 -94.3 -76.1 13.1 82.1 84.3 -22.1 207 213 A G T < 5S+ 0 0 57 -3,-1.9 2,-0.6 1,-0.3 -3,-0.2 0.347 81.0 134.5 94.3 -7.8 79.7 85.9 -24.5 208 214 A I < - 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